Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q5VYX0
UPID:
RNLS_HUMAN
Alternative names:
Monoamine oxidase-C
Alternative UPACC:
Q5VYX0; Q9BS33; Q9NUP8
Background:
Renalase, also known as Monoamine oxidase-C, plays a crucial role in the regulation of blood pressure and cardiac function. This enzyme, predominantly secreted by the kidneys, catalyzes the oxidation of specific NAD(P) derivatives, influencing systemic blood pressure and heart rate. Its activity is closely linked with the modulation of catecholamine levels in the bloodstream, which are vital for cardiovascular health.
Therapeutic significance:
Understanding the role of Renalase could open doors to potential therapeutic strategies. Its direct involvement in modulating cardiac function and systemic blood pressure positions it as a promising target for the development of treatments aimed at cardiovascular diseases, offering a novel approach to managing conditions related to blood pressure and heart rate.